Density functional study of the relation
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Tapan K. Ghanty; Swapan K. Ghosh
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Article
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1997
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John Wiley and Sons
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English
โ 298 KB
๐ 1 views
We have studied the variation of hardness, polarizability, and electronic and nuclear repulsion energy components of molecules in different nonequilibrium situations obtained by bond distortion and also by placing external point charges on the symmetry axis of the molecules. The above quantities are